Spektraris NMR
7β,9α,14β-Triacetoxy-3β-benzoyloxy-12β,15β-epoxy-11β-hydroxyjatropha-5E-ene
Common Name: 7β,9α,14β-Triacetoxy-3β-benzoyloxy-12β,15β-epoxy-11β-hydroxyjatropha-5E-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H44O10/c1-17-14-24-27(42-31(38)23-12-10-9-11-13-23)18(2)16-33(24)30(41-22(6)36)19(3)28(43-33)29(37)32(7,8)26(40-21(5)35)15-25(17)39-20(4)34/h9-14,18-19,24-30,37H,15-16H2,1-8H3/b17-14+/t18-,19-,24-,25+,26+,27-,28-,29+,30-,33+/m0/s1
InChIKey: InChIKey=MATMMZLIQOKUNK-QUOFPCSNSA-N
Formula: C33H44O10
Molecular Weight: 600.697727
Exact Mass: 600.293448
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, Z.Q., Guan, S.H., Li, X.N., Chen, G.T., Zhang, J.Q., Huang, H.L., Liu, X., Guo, D.A. J Nat Prod (2008) 71, 873-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatrophanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.6 |
| 2 (CH) | 35 |
| 3 (CH) | 77 |
| 4 (CH) | 50.6 |
| 5 (CH) | 123 |
| 6 (C) | 132.1 |
| 7 (CH) | 73.9 |
| 8 (CH2) | 32.2 |
| 9 (CH) | 70.7 |
| 10 (C) | 43.1 |
| 11 (CH) | 77.4 |
| 12 (CH) | 84.4 |
| 13 (CH) | 43.4 |
| 14 (CH) | 80.3 |
| 15 (C) | 92.9 |
| 16 (CH3) | 13.9 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 17.6 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 12.8 |
| 3a (C) | 165.7 |
| 3b (C) | 130.4 |
| 3c (CH) | 129.8 |
| 3d (CH) | 128.3 |
| 3e (CH) | 132.6 |
| 3f (CH) | 128.3 |
| 3g (CH) | 129.8 |
| 7a (C) | 169.4 |
| 7b (CH3) | 20 |
| 9a (C) | 169.3 |
| 9b (CH3) | 21.1 |
| 14a (C) | 170.5 |
| 14b (CH3) | 20.7 |
